(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione

C27H18BrClN2O3 — CID 126077301

IUPAC(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C27H18BrClN2O3/c28-23-13-17(14-24-26(32)31(27(33)30-24)22-7-3-6-21(29)15-22)9-11-25(23)34-16-18-8-10-19-4-1-2-5-20(19)12-18/h1-15H,16H2,(H,30,33)/b24-14+
InChIKeyHLGGELKCFGLQHM-ZVHZXABRSA-N
MW533.81 g/mol
LogP6.93
Rot. Bonds5

About (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione

(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 126077301) has the molecular formula C27H18BrClN2O3 and a molecular weight of 533.81 g/mol. Its IUPAC name is (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
PubChem CID126077301
Molecular FormulaC27H18BrClN2O3
Molecular Weight533.81 g/mol
Exact Mass532.02
IUPAC Name(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C27H18BrClN2O3/c28-23-13-17(14-24-26(32)31(27(33)30-24)22-7-3-6-21(29)15-22)9-11-25(23)34-16-18-8-10-19-4-1-2-5-20(19)12-18/h1-15H,16H2,(H,30,33)/b24-14+
InChIKeyHLGGELKCFGLQHM-ZVHZXABRSA-N
XLogP6.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.81
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126235008
(5E)-5-[[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126110024
(5E)-3-(3-chlorophenyl)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126072508
(5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126075797
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126110188
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126108554
(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126194356
(5E)-3-(3-chlorophenyl)-5-[[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126082357
(5E)-3-(3-chlorophenyl)-5-[[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126108790
(5E)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126099184
(5E)-5-[[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126103489
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126078830

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (CID 126077301) is (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is HLGGELKCFGLQHM-ZVHZXABRSA-N. The full InChI is InChI=1S/C27H18BrClN2O3/c28-23-13-17(14-24-26(32)31(27(33)30-24)22-7-3-6-21(29)15-22)9-11-25(23)34-16-18-8-10-19-4-1-2-5-20(19)12-18/h1-15H,16H2,(H,30,33)/b24-14+.
What are the key properties of (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 533.81 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126077301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).